N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine

C21H23N5 — CID 69325145

IUPACN,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCCCc1nn(C)c2cnc(N(C)Cc3cccc4ccccc34)nc12
InChIInChI=1S/C21H23N5/c1-4-8-18-20-19(26(3)24-18)13-22-21(23-20)25(2)14-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-13H,4,8,14H2,1-3H3
InChIKeyAYTWQHUQYGKCIY-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.11
Rot. Bonds5

About N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine

N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 69325145) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID69325145
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine
SMILESCCCc1nn(C)c2cnc(N(C)Cc3cccc4ccccc34)nc12
InChIInChI=1S/C21H23N5/c1-4-8-18-20-19(26(3)24-18)13-22-21(23-20)25(2)14-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-13H,4,8,14H2,1-3H3
InChIKeyAYTWQHUQYGKCIY-UHFFFAOYSA-N
XLogP4.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66017108
azane;N-methyl-N-(naphthalen-1-ylmethyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158227495
methanamine;1-propylnaphthalene
CID 174438724
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100
N-methanidyl-N-methyl-1-naphthalen-1-ylmethanamine
CID 20723537
1-naphthalen-1-yl-N,N-bis(trimethylsilyl)methanamine
CID 11779651
4-N-methyl-4-N-(naphthalen-1-ylmethyl)benzene-1,4-diamine
CID 28894653
[4-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]pyrimidin-5-yl]methanol
CID 83184450
1-ethylnaphthalene;methylcyclopropane
CID 142069670
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-bromo-N-methyl-N-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 102637268
1-[[ethyl(sulfinato)amino]methyl]naphthalene
CID 174765625

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine (CID 69325145) is N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine is CCCc1nn(C)c2cnc(N(C)Cc3cccc4ccccc34)nc12.
What is the InChIKey of N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is AYTWQHUQYGKCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-4-8-18-20-19(26(3)24-18)13-22-21(23-20)25(2)14-16-11-7-10-15-9-5-6-12-17(15)16/h5-7,9-13H,4,8,14H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine?
N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 345.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(naphthalen-1-ylmethyl)-3-propylpyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 69325145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).